CID 17837213

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzene

Structural Information

Molecular Formula
C10H7F7
SMILES
CC1=CC=CC=C1C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H7F7/c1-6-4-2-3-5-7(6)8(11,9(12,13)14)10(15,16)17/h2-5H,1H3
InChIKey
VSGMOFFVOMMCGS-UHFFFAOYSA-N
Compound name
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

260.0436 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05088 148.1
[M+Na]+ 283.03282 157.8
[M-H]- 259.03632 143.3
[M+NH4]+ 278.07742 164.9
[M+K]+ 299.00676 154.1
[M+H-H2O]+ 243.04086 137.5
[M+HCOO]- 305.04180 159.9
[M+CH3COO]- 319.05745 195.7
[M+Na-2H]- 281.01827 152.9
[M]+ 260.04305 138.0
[M]- 260.04415 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe